SCHEMBL20152456

SCHEMBL20152456

CCCCC#Cc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KIF11 P52732 2/20 0.43
CYP2A6 P11509 2/20 0.42
MMP3 P08254 1/20 0.42
MMP2 P08253 1/20 0.42
MMP12 P39900 1/20 0.42
TNK2 Q07912 1/20 0.42
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
MGLL Q99685 1/20 0.38
CYP11B2 P19099 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2232067 0.94 TSHR (0.47) TSHRHSD17B10FFAR1FFAR4CYP2A6
SCHEMBL20152451 0.89 TSHR (0.50) TSHRHSD17B10KIF11CYP2A6MMP3
SCHEMBL12348503 0.87 FFAR1 (0.55) TSHRHSD17B10FFAR1FFAR4CYP2A6
SCHEMBL5886588 0.84 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL5886582 0.84 CYP1A2 (0.52) HSD17B10FFAR1FFAR4MMP2MMP12
SCHEMBL8877872 0.83 CYP2A6 (0.50) TSHRHSD17B10FFAR1FFAR4CYP2A6
SCHEMBL8846653 0.82 FFAR1 (0.51) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL21623418 0.82 CYP2A6 (0.43) TSHRHSD17B10FFAR1FFAR4CYP2A6
SCHEMBL21623467 0.82 CYP2A6 (0.43) TSHRHSD17B10FFAR1FFAR4CYP2A6
SCHEMBL3062128 0.82 FFAR1 (0.47) TSHRHSD17B10FFAR1FFAR4MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228878-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AS WELL AS LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA EACH USING THE SAME DIC CORPORATION (JP) 2024-07-11 US disclosed
US-20240228878-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AS WELL AS LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA EACH USING THE SAME DIC CORPORATION (JP) 2024-07-11 US disclosed
US-20180171229-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2018-06-21 US disclosed
US-20180171234-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-06-21 US disclosed
US-20180134961-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240228878-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AS WELL AS LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA EACH USING THE SAME TTI2, CCT4, CCT2 TSHR 196/4885HSD17B10 4365/4885FFAR1 816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.